Lasagna-like supramolecular polymers derived from the PdII osazone complexes via C(sp2)–H⋯Hal hydrogen bonding

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 39.7K citations

Engineering, Electron Diffraction, Computational Chemistry +17

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 29.2K citations · Full text

New Functionals, Complementary Functionals, Engineering +16

van der Waals Volumes and Radii

A. Bondì · The Journal of Physical Chemistry · 1964 · 19K citations

Altmetrics, Physics, Donut Icon +10

Energy-adjustedab initio pseudopotentials for the second and third row transition elements

Dirk Andrae, U. H�u�ermann, Michael Dolg et al. · Theoretica Chimica Acta · 1990 · 8.4K citations

Transition Metal Chalcogenides, Engineering, Physics +8

The Hydrogen Bond in the Solid State

Thomas Steiner · Angewandte Chemie International Edition · 2002 · 6.1K citations